Geometry & MOs

Info

ID:

440535

PubChem CID:

135230521

Reduced:

O5N8C29H30 (1)

Stoich.:

A5B8C29D30 (1)

Weight, g/mol:

550.225243

ΔHf, kcal/mol:

-28.04

Dipole, Da:

14.05

IP(EA), eV:

 -8.84(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(5,6-difluoropyridin-3-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(2-methylpyrimidin-5-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](CN(O1)CC2=CC=C(O2)C#N)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)C5=CN(C(=O)C(=C5)C(=O)NC)C)C

DOS

IR

Vibrations